CHEBI:70416 - 3β-hydroxyfriedelan-23-oic acid

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ChEBI Name 3β-hydroxyfriedelan-23-oic acid ChEBI ID CHEBI:70416 ChEBI ASCII Name 3beta-hydroxyfriedelan-23-oic acid Definition A pentacyclic triterpenoid isolated from the leaves of Garcia parviflora. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C31H52O3 Net Charge 0 Average Mass 472.74280 Monoisotopic Mass 472.39165 InChI InChI=1S/C31H52O3/c1-26(2)12-13-27(3)14-16-30(6)23-10-11-28(4)20(18-25(33)34)21(32)8-9-22(28)29(23,5)15-17-31(30,7)24(27)19-26/h20-24,32H,8-19H2,1-7H3,(H,33,34)/t20-,21-,22+,23-,24+,27+,28+,29-,30+,31-/m0/s1 InChIKey MCQITBJTZHPOCF-NOHCWTEQSA-N SMILES CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](CC(O)=O)[C@@H](O)CC[C@H]5[C@]4(C)CC[C@@]3(C)[C@@H]2C1 Metabolite of Species Details Garcia parviflora (IPNI:107401-2) Found in leaf (BTO:0000713). EtOAc extract of air-dried, powdered branch and leaves See: PubMed Garcia parviflora (IPNI:107401-2) Found in branch (BTO:0000148). EtOAc extract of air-dried, powdered branch and leaves See: PubMed Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 3β-hydroxyfriedelan-23-oic acid (CHEBI:70416) has functional parent friedelin (CHEBI:5171) 3β-hydroxyfriedelan-23-oic acid (CHEBI:70416) is a hydroxy monocarboxylic acid (CHEBI:35868) 3β-hydroxyfriedelan-23-oic acid (CHEBI:70416) is a pentacyclic triterpenoid (CHEBI:25872) IUPAC Name [(3S,4R,4aS,6aS,6bR,8aR,12aR,12bS,14aS,14bS)-3-hydroxy-4a,6b,8a,11,11,12b,14a-heptamethyldocosahydropicen-4-yl]acetic acid Citation Type Source 20958014 PubMed citation Europe PMC Last Modified 01 June 2015